N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide

C25H31N5O3 — CID 45175507

IUPACN-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide
SMILESCCC1CCCCN1C(=O)c1cc(NC(=O)COC)cc2nc(-c3cccnc3)n(CC)c12
InChIInChI=1S/C25H31N5O3/c1-4-19-10-6-7-12-30(19)25(32)20-13-18(27-22(31)16-33-3)14-21-23(20)29(5-2)24(28-21)17-9-8-11-26-15-17/h8-9,11,13-15,19H,4-7,10,12,16H2,1-3H3,(H,27,31)
InChIKeyDGNBLSIVDPDRNF-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.11
Rot. Bonds7

About N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide

N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide (PubChem CID 45175507) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide
PubChem CID45175507
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide
SMILESCCC1CCCCN1C(=O)c1cc(NC(=O)COC)cc2nc(-c3cccnc3)n(CC)c12
InChIInChI=1S/C25H31N5O3/c1-4-19-10-6-7-12-30(19)25(32)20-13-18(27-22(31)16-33-3)14-21-23(20)29(5-2)24(28-21)17-9-8-11-26-15-17/h8-9,11,13-15,19H,4-7,10,12,16H2,1-3H3,(H,27,31)
InChIKeyDGNBLSIVDPDRNF-UHFFFAOYSA-N
XLogP4.11
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide
CID 45250475
N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 45225986
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
1-(2-ethylpiperidin-1-yl)-2-[[4-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3214620
ethyl 2-[1-[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]piperidin-2-yl]acetate
CID 45235075
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide
CID 125167750
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319011

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide (CID 45175507) is N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide is CCC1CCCCN1C(=O)c1cc(NC(=O)COC)cc2nc(-c3cccnc3)n(CC)c12.
What is the InChIKey of N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide?
The InChIKey is DGNBLSIVDPDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-4-19-10-6-7-12-30(19)25(32)20-13-18(27-22(31)16-33-3)14-21-23(20)29(5-2)24(28-21)17-9-8-11-26-15-17/h8-9,11,13-15,19H,4-7,10,12,16H2,1-3H3,(H,27,31).
What are the key properties of N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide?
N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide has a molecular weight of 449.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 45175507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).